REMARK Name = BDB010927 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.765 -0.164 0.205 0.00 0.00 -0.196 N ATOM 2 C LIG 1 0.442 0.123 0.861 0.00 0.00 +0.280 A ATOM 3 O LIG 1 0.643 1.004 1.696 0.00 0.00 -0.265 OA ATOM 4 C LIG 1 1.604 -0.729 0.517 0.00 0.00 +0.051 A ATOM 5 C LIG 1 1.467 -1.760 -0.403 0.00 0.00 +0.019 A ATOM 6 C LIG 1 2.558 -2.578 -0.743 0.00 0.00 +0.064 A ATOM 7 C LIG 1 3.799 -2.327 -0.129 0.00 0.00 +0.018 A ATOM 8 C LIG 1 3.957 -1.288 0.802 0.00 0.00 -0.032 A ATOM 9 C LIG 1 0.141 -1.935 -0.984 0.00 0.00 +0.142 A ATOM 10 C LIG 1 2.849 -0.495 1.121 0.00 0.00 +0.019 A ATOM 11 N LIG 1 -0.884 -1.198 -0.702 0.00 0.00 -0.171 NA ENDROOT BRANCH 1 14 ATOM 12 C LIG 1 -4.428 0.816 -0.143 0.00 0.00 -0.032 A ATOM 13 C LIG 1 -3.173 0.167 -0.273 0.00 0.00 +0.032 A ATOM 14 C LIG 1 -1.996 0.566 0.400 0.00 0.00 +0.070 A ATOM 15 C LIG 1 -2.101 1.681 1.236 0.00 0.00 +0.028 A ATOM 16 C LIG 1 -3.314 2.356 1.391 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -4.454 1.929 0.712 0.00 0.00 +0.005 A BRANCH 12 21 ATOM 18 C LIG 1 -7.475 2.075 -3.421 0.00 0.00 +0.007 C ATOM 19 C LIG 1 -6.462 1.754 -2.340 0.00 0.00 -0.012 C ATOM 20 C LIG 1 -5.659 0.442 -2.511 0.00 0.00 +0.022 C ATOM 21 C LIG 1 -5.720 0.272 -0.946 0.00 0.00 +0.056 C ATOM 22 C LIG 1 -7.019 1.150 -1.029 0.00 0.00 +0.022 C BRANCH 21 23 ATOM 23 C LIG 1 -6.056 -1.209 -0.495 0.00 0.00 +0.144 A ATOM 24 N LIG 1 -6.358 -1.643 0.766 0.00 0.00 -0.320 N ATOM 25 C LIG 1 -6.438 -0.868 1.973 0.00 0.00 +0.151 C ATOM 26 C LIG 1 -6.564 -2.984 0.663 0.00 0.00 +0.224 A ATOM 27 N LIG 1 -6.406 -3.358 -0.584 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 -6.081 -2.240 -1.315 0.00 0.00 -0.134 NA ENDBRANCH 21 23 ENDBRANCH 12 21 ENDBRANCH 1 14 BRANCH 6 29 ATOM 29 C LIG 1 2.430 -3.697 -1.741 0.00 0.00 +0.418 C ATOM 30 F LIG 1 1.510 -4.623 -1.359 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.036 -3.254 -2.966 0.00 0.00 -0.166 F ATOM 32 F LIG 1 3.586 -4.385 -1.947 0.00 0.00 -0.166 F ENDBRANCH 6 29 BRANCH 8 33 ATOM 33 C LIG 1 5.304 -1.031 1.448 0.00 0.00 +0.119 C BRANCH 33 34 ATOM 34 N LIG 1 6.351 -0.712 0.465 0.00 0.00 -0.298 NA ATOM 35 C LIG 1 6.164 0.579 -0.218 0.00 0.00 +0.093 C ATOM 36 C LIG 1 6.447 1.797 0.668 0.00 0.00 +0.069 C ATOM 37 C LIG 1 6.304 3.093 -0.132 0.00 0.00 +0.015 C ATOM 38 C LIG 1 7.841 1.670 1.268 0.00 0.00 +0.254 C ATOM 39 F LIG 1 8.780 1.803 0.295 0.00 0.00 -0.205 F ATOM 40 F LIG 1 8.056 2.680 2.148 0.00 0.00 -0.205 F ATOM 41 C LIG 1 8.050 0.346 1.974 0.00 0.00 +0.091 C ATOM 42 C LIG 1 7.700 -0.806 1.041 0.00 0.00 +0.090 C ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 6